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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106083.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106083
loop_
_publ_author_name
'Burkhardt, U.'
'Grin', Yu.'
'Ellner, M.'
'Peters, K.'
_publ_section_title
;
 Structure refinement of the iron-aluminium phase with the approxinate
 composition Fe2 Al5
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              313
_journal_page_last               316
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Al5.6 Fe2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.6559
_cell_length_b                   6.4154
_cell_length_c                   4.2184
_cell_volume                     207.190
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Burkhardt_ASBSDK_1994_1317.cif
_cod_data_source_block           Al5.6Fe2
_cod_original_cell_volume        207.1895
_cod_database_code               2106083
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1 Fe 0 0.8277 0.25 1 0.0
Al3 Al 0.188 0.1467 0.25 1 0.0
Al2 Al 0 0.534 0.83 0.24 0.0
Al1 Al 0 0.5 0 0.32 0.0
